benzyl 2-[[2-(phenoxymethyl)benzoyl]amino]acetate

C23H21NO4 — CID 32982202

IUPACbenzyl 2-[[2-(phenoxymethyl)benzoyl]amino]acetate
SMILESO=C(CNC(=O)c1ccccc1COc1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H21NO4/c25-22(28-16-18-9-3-1-4-10-18)15-24-23(26)21-14-8-7-11-19(21)17-27-20-12-5-2-6-13-20/h1-14H,15-17H2,(H,24,26)
InChIKeyXAYMBSWAYKRRPW-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.74
Rot. Bonds8

About benzyl 2-[[2-(phenoxymethyl)benzoyl]amino]acetate

benzyl 2-[[2-(phenoxymethyl)benzoyl]amino]acetate (PubChem CID 32982202) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is benzyl 2-[[2-(phenoxymethyl)benzoyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[2-(phenoxymethyl)benzoyl]amino]acetate
PubChem CID32982202
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Namebenzyl 2-[[2-(phenoxymethyl)benzoyl]amino]acetate
SMILESO=C(CNC(=O)c1ccccc1COc1ccccc1)OCc1ccccc1
InChIInChI=1S/C23H21NO4/c25-22(28-16-18-9-3-1-4-10-18)15-24-23(26)21-14-8-7-11-19(21)17-27-20-12-5-2-6-13-20/h1-14H,15-17H2,(H,24,26)
InChIKeyXAYMBSWAYKRRPW-UHFFFAOYSA-N
XLogP3.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(phenoxymethyl)-N-(3-phenylpropyl)benzamide
CID 32979372
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
2-(phenoxymethyl)-N-prop-2-enylbenzamide
CID 9399802
benzyl 2-benzamidoacetate;ethane
CID 142836612
benzyl 2-[(2,5-dichlorobenzoyl)amino]acetate
CID 26878280
N-[2-(2-fluorophenyl)ethyl]-2-(phenoxymethyl)benzamide
CID 24512894
N-[3-(methylamino)propyl]-2-(phenoxymethyl)benzamide
CID 119431897
N-[2-(4-fluorophenyl)ethyl]-2-(phenoxymethyl)benzamide
CID 32979164
benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899424
N,N-dimethyl-2-(phenoxymethyl)benzamide
CID 134022314
benzyl 2-[(3-phenoxybenzoyl)amino]acetate
CID 7980431
2-(phenoxymethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 24512524

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[2-(phenoxymethyl)benzoyl]amino]acetate?
The IUPAC name of benzyl 2-[[2-(phenoxymethyl)benzoyl]amino]acetate (CID 32982202) is benzyl 2-[[2-(phenoxymethyl)benzoyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[2-(phenoxymethyl)benzoyl]amino]acetate?
The canonical SMILES for benzyl 2-[[2-(phenoxymethyl)benzoyl]amino]acetate is O=C(CNC(=O)c1ccccc1COc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[2-(phenoxymethyl)benzoyl]amino]acetate?
The InChIKey is XAYMBSWAYKRRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c25-22(28-16-18-9-3-1-4-10-18)15-24-23(26)21-14-8-7-11-19(21)17-27-20-12-5-2-6-13-20/h1-14H,15-17H2,(H,24,26).
What are the key properties of benzyl 2-[[2-(phenoxymethyl)benzoyl]amino]acetate?
benzyl 2-[[2-(phenoxymethyl)benzoyl]amino]acetate has a molecular weight of 375.42 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[2-(phenoxymethyl)benzoyl]amino]acetate is sourced from PubChem (CID 32982202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).